HfFeRe5
Alexandria ALEXAlex-ID: agm005778571 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC5_91_spg62
Fe7Re6 Hf5Re24 Fe
2023-07-14 05:29:28.130265
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005778571).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005778571
data_agm005778571
_cell_length_a 5.20262
_cell_length_b 8.26012
_cell_length_c 10.59439
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 455.28626
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hf1 Hf 0.25000 0.23381 0.93685 1.00000
Hf2 Hf 0.75000 0.26619 0.43685 1.00000
Hf3 Hf 0.25000 0.73381 0.56315 1.00000
Hf4 Hf 0.75000 0.76619 0.06315 1.00000
Fe1 Fe 0.25000 0.86049 0.84510 1.00000
Fe2 Fe 0.75000 0.63951 0.34510 1.00000
Fe3 Fe 0.25000 0.36049 0.65490 1.00000
Fe4 Fe 0.75000 0.13951 0.15490 1.00000
Re1 Re 0.25000 0.60213 0.02235 1.00000
Re2 Re 0.75000 0.89787 0.52235 1.00000
Re3 Re 0.25000 0.10213 0.47765 1.00000
Re4 Re 0.75000 0.39787 0.97765 1.00000
Re5 Re 0.75000 0.31864 0.73242 1.00000
Re6 Re 0.25000 0.18136 0.23242 1.00000
Re7 Re 0.75000 0.81864 0.76758 1.00000
Re8 Re 0.25000 0.68136 0.26758 1.00000
Re9 Re 0.25000 0.91938 0.07344 1.00000
Re10 Re 0.75000 0.58062 0.57344 1.00000
Re11 Re 0.25000 0.41938 0.42656 1.00000
Re12 Re 0.75000 0.08062 0.92656 1.00000
Re13 Re 0.98773 0.43198 0.19372 1.00000
Re14 Re 0.01227 0.06802 0.69372 1.00000
Re15 Re 0.51227 0.93198 0.30628 1.00000
Re16 Re 0.48773 0.56802 0.80628 1.00000
Re17 Re 0.01227 0.56802 0.80628 1.00000
Re18 Re 0.98773 0.93198 0.30628 1.00000
Re19 Re 0.48773 0.06802 0.69372 1.00000
Re20 Re 0.51227 0.43198 0.19372 1.00000
